SCHEMBL353581

SCHEMBL353581

NC(=O)c1cccc2c(-c3ccc(Oc4ccccc4)cc3)c(-c3ccc4c(C(N)=O)cccc4c3-c3ccc(Oc4ccccc4)cc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
CTNNB1 P35222 1/20 0.48
PARP10 Q53GL7 2/20 0.46
SCN9A Q15858 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
BCAT2 O15382 1/20 0.41
BTK Q06187 2/20 0.40
PARP1 P09874 1/20 0.40
GSTP1 P09211 1/20 0.40
SCN4A P35499 1/20 0.39
TNKS O95271 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL353488 0.87 BCAT2 (0.53) SIRT2SIRT1KDM4EALDH1A1GAA
Diphenylether SCHEMBL23068684 0.74 CTNNB1 (0.74) CHEK2CTNNB1PARP10SIRT2SIRT1
SCHEMBL353582 0.70 KDM4E (0.48) CHEK2CTNNB1PARP10SCN9ASIRT2
SCHEMBL12721909 0.70 LTA4H (0.55) SCN9AKDM4EGSTP1SCN4ADHODH
SCHEMBL30662434 0.70 LTA4H (0.55) SCN9AKDM4EGSTP1SCN4AKMT2A
SCHEMBL6135290 0.70 ATM (0.61) AURKAKDM4EALDH1A1GAABCAT2
SCHEMBL352877 0.69 PARP1 (0.50) AURKARPS6KB1KDM4EPARP1
SCHEMBL12128516 0.68 LTA4H (0.50) GSTP1SCN4A
SCHEMBL634722 0.68 ATM (0.55) KDM4EALDH1A1GAABCAT2PARP1
SCHEMBL28081509 0.68 BCAT2 (0.61) CHEK2CTNNB1PARP10SIRT2SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418942-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS Sanford-Burnham Medical Research Institute (US) 2012-02-22 EP disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 CHEK2 2776/4885CTNNB1 1410/4885PARP10 1731/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.